⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13407442 | 0.83 | LMNA (0.37) | — | |
| SCHEMBL19767014 | 0.78 | — | — | |
| SCHEMBL1132413 | 0.76 | — | — | |
| SCHEMBL1952681 | 0.76 | — | — | |
| SCHEMBL8819643 | 0.75 | CYP2C19 (0.39) | — | |
| SCHEMBL24894295 | 0.74 | DDB1 (0.31) | — | |
| SCHEMBL16182202 | 0.74 | — | — | |
| SCHEMBL1917599 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL29957047 | 0.74 | BHMT (0.39) | — | |
| SCHEMBL25847638 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993023402-A1 | 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-11-25 | — | — | WO | disclosed |